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macromol-census


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Author: Kale Kundert
Summary: Tools for creating machine-learning datasets from macromolecular structure
Latest version: 0.3.0
Required dependencies: biopython | docopt | duckdb | gemmi | more-itertools | networkx | numpy | polars | pyarrow | scipy | tidyexc | tqdm
Optional dependencies: autoclasstoc | parametrize-from-file | pytest | pytest-unordered | sphinx | sphinx-rtd-theme

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